SCHEMBL3081407

SCHEMBL3081407

N#Cc1cccc(CN[C]=O)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
ADORA2A P29274 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SOS2 Q07890 1/20 0.34
CTSS P25774 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
AHR P35869 1/20 0.31
SRC P12931 1/20 0.31
DDR1 Q08345 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3081412 0.78 ADH1B (0.39) CTSKADORA2ANPSR1SOS2CTSS
SCHEMBL2953054 0.77 NPSR1 (0.49) CTSKADORA2ANPSR1SOS2AHR
SCHEMBL9296950 0.76 NPSR1 (0.70) ADORA2ANPSR1IRAK4
SCHEMBL25880679 0.76 NPSR1 (0.47) ADORA2ANPSR1SOS2PRMT5WDR77
SCHEMBL3583705 0.75 HTR1A (0.41) NPSR1
SCHEMBL9298604 0.73 NPSR1 (0.49) ADORA2ANPSR1
SCHEMBL129485 0.72 SOS2 (0.39) CTSKSOS2CTSSPRMT5WDR77
SCHEMBL9297038 0.72 SOS2 (0.39) CTSKSOS2CTSSPRMT5WDR77
SCHEMBL3760158 0.72 IRAK4 (0.49) CTSKADORA2ASOS2CTSSPRMT5
SCHEMBL1758823 0.72 SOS2 (0.43) CTSKSOS2CTSSPRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 CTSK 4727/4885ADORA2A 1159/4885NPSR1 114/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CTSK 4724/4885ADORA2A 1110/4885NPSR1 106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.